CID 904857

Isobornyl methacrylate

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(=C)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C
InChI
InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1
InChIKey
IAXXETNIOYFMLW-GYSYKLTISA-N
Compound name
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2
References

69720
Patents

222.16199 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 154.5
[M+Na]+ 245.15121 162.2
[M-H]- 221.15471 157.5
[M+NH4]+ 240.19581 182.2
[M+K]+ 261.12515 159.7
[M+H-H2O]+ 205.15925 152.1
[M+HCOO]- 267.16019 172.8
[M+CH3COO]- 281.17584 191.4
[M+Na-2H]- 243.13666 155.3
[M]+ 222.16144 155.5
[M]- 222.16254 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe